CID 59028600

(2-methoxyethyl)(3,3,3-trifluoropropyl)amine

Structural Information

Molecular Formula

C₆H₁₂F₃NO

SMILES

COCCNCCC(F)(F)F

InChI

InChI=1S/C6H12F3NO/c1-11-5-4-10-3-2-6(7,8)9/h10H,2-5H2,1H3

InChIKey

ZSFXDEUEWARNDN-UHFFFAOYSA-N

Compound name

3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.0871 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.094376	133.4
[M+Na]+	194.076318	140.3
[M-H]-	170.079824	129.7
[M+NH4]+	189.120923	153.6
[M+K]+	210.050258	139.6
[M+H-H2O]+	154.084360	126.1
[M+HCOO]-	216.085301	153.7
[M+CH3COO]-	230.100951	182.0
[M+Na-2H]-	192.061766	139.5
[M]+	171.08655142	131.0
[M]-	171.08764858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe